Geometry & MOs

Info

ID:	183345
PubChem CID:	77011076
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	210.044757
ΔH_f, kcal/mol:	-82.95
Dipole, Da:	2.6
IP(EA), eV:	-8.81(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloroprop-2-enoxy)-5-methylbenzaldehyde

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)NC(=O)C=CC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations